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CHEBI:211205 - Coniellin H

ChEBI IDCHEBI:211205
ChEBI NameConiellin H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H28O7
Net Charge0
Average Mass416.470
Monoisotopic Mass416.18350
SMILESCCCCC[C@@H]1[C@H]2OC(C)=CC3=C(C=O)C(=O)[C@](C)(O)[C@H]4[C@H](C(=O)OC)C(=O)[C@@H]1[C@]324
InChIInChI=1S/C23H28O7/c1-5-6-7-8-12-16-17(25)15(21(27)29-4)18-22(3,28)19(26)13(10-24)14-9-11(2)30-20(12)23(14,16)18/h9-10,12,15-16,18,20,28H,5-8H2,1-4H3/t12-,15+,16+,18+,20+,22+,23-/m0/s1
InChIKeyXAHOFHHJQNUHFY-KXIWCRNYSA-N
Species of MetaboliteComponentSourceComments
Coniella fragariae (ncbitaxon:1125743) - PubMed (31247219)
ChEBI Ontology
Outgoing Relation(s)
Coniellin H (CHEBI:211205) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
methyl (1S,3S,4S,5R,12R,13S,14R)-7-ormyl-5-hydroxy-5,10-dimethyl-2,6-dioxo-13-pentyl-11-oxatetracyclo[6.5.1.04,14.012,14]tetradeca-7,9-diene-3-carboxylate